(3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H15ClN4O — CID 2933647

IUPAC(3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15ClN4O/c16-13-4-1-3-12(11-13)14(21)19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10H2
InChIKeyFGGIDKHEOOUCRI-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.09
Rot. Bonds2

About (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2933647) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2933647
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name(3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H15ClN4O/c16-13-4-1-3-12(11-13)14(21)19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10H2
InChIKeyFGGIDKHEOOUCRI-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2933647) is (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FGGIDKHEOOUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-13-4-1-3-12(11-13)14(21)19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10H2.
What are the key properties of (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 302.77 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2933647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).